Geometry & MOs

Info

ID:	405325
PubChem CID:	135073481
Reduced:	O3C30H34 (1)
Stoich.:	A3B30C34 (1)
Weight, g/mol:	424.0789
ΔH_f, kcal/mol:	-43.41
Dipole, Da:	3.49
IP(EA), eV:	-8.73(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,5R,6S,7R,8R)-1,5-dimethyl-6-phenylselanyl-3-prop-1-en-2-yl-2,9,10-trioxatricyclo[4.3.1.03,8]decan-7-yl] acetate

Drug info:

PubChemData

Smile

C/C(=C\CC1=C(C=C(C=C1)OCC2=CC=CC=C2)OCC3=CC=CC=C3)/CC[C@@H]4C(O4)(C)C

DOS

IR

Vibrations